General Information of the Compound
Compound ID
CP0406047
Compound Name
1-[2-(3-chlorophenyl)ethyl]-1-methylhydrazine
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Structure
Formula
C9H13ClN2
Molecular Weight
184.67
Canonical SMILES
CN(N)CCc1cccc(Cl)c1
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InChI
InChI=1S/C9H13ClN2/c1-12(11)6-5-8-3-2-4-9(10)7-8/h2-4,7H,5-6,11H2,1H3
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InChIKey
IANVBRXGDACRLG-UHFFFAOYSA-N
Physicochemical Property
logP
1.688
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
29.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46930049
SID: 99436751
ChEMBL ID
CHEMBL1240909
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 120.23 nM
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